0 B7R0.6 C=C(Cl)CSC(C)=O C6230 [0,0,0,0,0,0|1,1,2]=4 1 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)CNC(C)=O X41261 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(=O)NN=C(C)C A66607 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(C)=NNC(N)=O P39156 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 O=C(O)CCC(F)F D59737 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 CC(=O)NCCN A68626 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(=O)OCCBr B67892 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 CC(C)=CCCBr B0351 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.4 CC(C)CCCO M67872 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CC(C)OCCBr B69154 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CCCCC(=N)N P41343 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CCCOC(N)=O P40264 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 CN(C)\C=C\C=O D36904 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 CNCCN(C)C T41392 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.9 CC(C)O\C=C(/Br)C=O B1138 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,1,0,0,0,0|3,0,0]=4 44 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.29 CC(C)NCC(C)(C)N M64179 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.3 CC1CCC(O)CC1 M61965 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.3 NC1CCC(=O)CC1 A38581 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,0,0|1,0,0]=2 89 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,0,0,1,0,0|1,0,0]=2 90 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,0,0|2,0,0]=3 93 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,0,0,1,0|1,0,2]=4 94 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,1,0|1,0,0]=2 95 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,0,0,1,0|1,0,0]=2 96 B6R0.2 CC(C)CB(O)O M4460 [0,0,0,0,1,0|2,0,1]=4 97 B6R0.2 CC(C)C[C@H](C)N M43511 [0,0,0,0,1,0|1,0,1]=3 98 B6R0.2 CC(C)NC(C)C D64760 [0,0,0,0,1,0|2,0,1]=4 99 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,1,0|2,0,0]=3 100 B6R0.2 CN(C)CC(N)=S D69472 [0,0,0,0,1,0|2,1,0]=4 101 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,1,0|2,0,0]=3 102 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,1,0|2,0,0]=3 103 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,1,0|2,0,0]=3 104 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [0,0,0,0,1,0|1,0,2]=4 105 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,1,0|2,0,0]=3 106 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,1,0|2,0,0]=3 107 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,1,0|2,0,0]=3 108 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [0,0,0,0,1,0|1,0,2]=4 109 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,1|1,0,1]=3 110 B8R0.28 CC(=O)OCOC(C)=O M41231 [0,0,0,0,0,1|1,0,1]=3 111 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,0,0,0,1|3,0,0]=4 112 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,0,0,0,0,1|3,0,0]=4 113 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.1 CC(=O)CC#N X40158 [2,0,0,0,0,0|1,0,1]=4 116 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.1 CC(C)CNN B40316 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 CCOC(=N)N E36845 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 CCOC(=S)[S-] P69346 [2,0,0,0,0,0|1,1,0]=4 122 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.1 CN(C)CC=O D39943 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 CN(C)NC=O D66358 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 COC[C@@H](C)N M40311 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 COC[C@@H](C)O M39959 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.1 COC[C@H](C)O M61064 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|0,0,1]=3 134 B7R0.2 CC[C@H](C)CC(=O)O M41552 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.2 CC[C@H](N)CC(=O)O A69512 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.3 C=CCOC(=O)CI P7846 [1,1,0,0,0,0|0,0,2]=4 137 B7R0.3 CCCCC(=O)NN P40425 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.3 CCCOC(=O)OC M40388 [1,1,0,0,0,0|0,0,0]=2 139 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.3 COC(=O)CCCBr M39189 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.3 COC(=O)CCCCl M60517 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.3 COC(=O)CCCN M32376 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.4 CC(=O)CCCCBr B41532 [1,1,0,0,0,0|1,0,0]=3 144 B7R0.4 CC(=O)OCCCBr B41266 [1,1,0,0,0,0|0,0,0]=2 145 B7R0.4 CC(=O)OCCCCl C39190 [1,1,0,0,0,0|0,0,0]=2 146 B7R0.4 CC(C)CCCCBr B43898 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.4 CCCCOC(N)=O B39165 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.4 COCCNC(N)=O M36648 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.4 NC(=O)COCCCl C40247 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.4 O=C([O-])CCCCO S41306 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,1,0,0,1,0|0,1,0]=3 163 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,1,0,0,1,0|1,0,0]=3 164 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,1,0,0,1,0|1,0,0]=3 165 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,1,0,0,1,0|1,0,0]=3 166 B7R0.9 CC(C)CS(=O)(=O)Cl M40271 [0,1,0,0,1,0|2,0,0]=4 167 B7R0.9 CC(C)OS(C)(=O)=O P69616 [0,1,0,0,1,0|1,0,0]=3 168 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,0,0,1,0|1,0,1]=4 169 B7R0.16 CC(C)C(N)C(C)C D46525 [0,1,0,0,1,0|1,0,1]=4 170 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,1,0|1,0,0]=3 171 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,1,0|1,0,0]=3 172 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,1,0,0,1,0|1,0,1]=4 173 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,1,0|1,0,0]=3 174 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,1,0|2,0,0]=4 175 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,1,0|2,0,0]=4 176 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,1,0,0,1,0|2,0,0]=4 177 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,1,0|2,0,0]=4 178 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [0,1,0,0,0,1|2,0,0]=4 179 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,1,0,0,0,1|2,0,0]=4 180 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,1,0,0,0,1|2,0,0]=4 181 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,1,0,0,0,1|2,0,0]=4 182 B9R0.56 CC(=O)SCC[N+](C)(C)C A38049 [0,1,0,0,0,1|1,1,0]=4 183 B9R0.23 CC(C)OC(=O)C(=O)CBr P65399 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.23 CCC(=O)[C@@H](C)CN(C)C D47174 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,2,0,0,0,0|1,0,0]=3 186 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [0,2,0,0,0,0|1,0,0]=3 187 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,2,0,0,0,0|1,0,0]=3 188 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C C38219 [0,2,0,0,0,0|0,0,0]=2 189 B9R0.43 COC(CNC(C)=O)OC D41591 [0,2,0,0,0,0|1,0,0]=3 190 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [0,2,0,0,0,0|2,0,0]=4 191 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,2,0,0,0,0|2,0,0]=4 192 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,2,0,0,0,0|2,0,0]=4 193 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,2,0,0,0,0|2,0,0]=4 195 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|1,0,0]=3 198 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|1,0,0]=3 200 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.3 C[C@@H]1CCCNC1 M43474 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.3 C[C@@H]1COCCN1 M26868 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.3 C[C@@H]1COCCN1 M9009 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.3 C[C@H]1COCCN1 M23631 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.3 C[C@H]1COCCN1 M41324 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.3 C[C@H]1COCCN1 M8924 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.3 N[C@@H]1CCCOC1 X18615 [1,0,0,1,0,0|1,0,1]=4 220 B7R1.3 N[C@H]1CCCOC1 T1132 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.3 N[C@H]1CCCOC1 X17960 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,0]=3 223 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.3 O=C1COCCN1 M7700 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.3 O[C@@H]1CCCOC1 T15984 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.3 O[C@H]1CCCOC1 H11398 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.3 O[C@H]1CCCOC1 T25087 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.10 NCC1CC(=O)C1 SB7355 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.10 O=C1CC(CBr)C1 B11904 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.10 O=C1CC(CO)C1 H0725 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.14 CC1(C)CCNC1 D1149 [1,0,0,1,0,0|1,0,1]=4 245 B7R1.14 C[C@]1(N)CCOC1 A11772 [1,0,0,1,0,0|1,0,1]=4 246 B7R1.14 O=S1(=O)CCCO1 X68360 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.17 CC1(C)CCC1=O D60316 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.18 CC(=O)C1CNC1 A18542 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.16 CC1(C)CC(N)C1 D18434 [0,0,0,1,1,0|1,0,1]=4 254 B7R1.16 CC1(C)CC(O)C1 D24163 [0,0,0,1,1,0|0,0,2]=4 255 B7R1.16 O=C1CC(F)(F)C1 D11667 [0,0,0,1,1,0|2,0,0]=4 256 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,0,0,1,0,1|2,0,0]=4 257 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,0,0,1,0,1|2,0,0]=4 258 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,0,0,1,0,1|2,0,0]=4 259 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,0,0,1,0,1|1,0,0]=3 260 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,0,0,1,0,1|1,0,0]=3 261 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,0,0,1,0,1|2,0,0]=4 262 B9R1.53 CC(=O)NC1CC(N)C1 A30123 [0,0,0,1,0,1|2,0,0]=4 263 B9R1.53 CC(=O)NC1CC(N)C1 N14377 [0,0,0,1,0,1|2,0,0]=4 264 B9R1.53 CC(=O)OC1CC(=O)C1 X11663 [0,0,0,1,0,1|1,0,1]=4 265 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 A15221 [0,0,0,1,0,1|1,0,1]=4 266 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,0,0,1,0,1|1,0,0]=3 267 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,0,0,1,0,1|1,0,0]=3 268 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,0,0,1,0,1|1,0,0]=3 269 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,0,0,1,0,1|2,0,0]=4 270 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.1 N#CC1CCC(=O)CC1 X46386 [0,1,0,1,0,0|1,0,1]=4 272 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.10 CC1(C)OCC(=O)CO1 D25156 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.10 O=C1CCC(F)(F)CC1 D5709 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.10 O=C1CCC(F)(F)CN1 D15393 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.82 COC(=O)C1CC(Br)C1 M10924 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.82 COC(=O)C1CC(Cl)C1 M11851 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.82 COC(=O)C1CC(N)C1 M13744 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.82 COC(=O)C1CC(O)C1 M0318 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SB7472 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 M10932 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 M1703 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.95 NCC1CC(C(=O)O)C1 A15397 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.95 NCC1CC(C(=O)O)C1 A30087 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [0,1,0,1,0,0|0,0,0]=2 308 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,1,0,1,0,0|0,0,1]=3 309 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.164 CC(=O)C1CC(F)(F)C1 D20631 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.164 CC1(C)C=C(C(=O)O)C1 D6362 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.164 CC1(F)CC(C(=O)O)C1 C20596 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 F60006 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 H31897 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.51 CC(C)(C)C1CC(=O)C1 B60480 [0,1,0,1,0,0|1,0,0]=3 321 B9R2.19 O=C1NCC2CC1N2 X13999 [0,0,0,2,0,0|2,0,0]=4 322 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,2,0,0|1,0,0]=3 323 B9R2.41 O=C1CC(C2CC2)C1 C29950 [0,0,0,2,0,0|1,0,0]=3 324 B9R2.145 O=C(O)C12CC(C1)C2 B22451 [0,0,0,2,0,0|2,0,0]=4 325 B9R2.139 O=C1CC2(CC2)CO1 X23130 [0,0,0,2,0,0|0,0,0]=2 326 B9R2.143 O=C(O)[C@H]1CC12CC2 S21785 [0,0,0,2,0,0|2,0,0]=4 327 B5R0.5 CC(C)C(=N)N B40303 [0,0,0,0,2,0|2,0,0]=4 328 B5R0.5 CC(C)C(N)=O I4848 [0,0,0,0,2,0|1,0,0]=3 329 B5R0.5 CC(C)C(N)=S M3101 [0,0,0,0,2,0|1,1,0]=4 330 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,0,0,0,2,0|2,0,0]=4 331 B5R0.5 CC(O)C(=O)[O-] C60888 [0,0,0,0,2,0|2,0,0]=4 332 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,0,0,0,2,0|2,0,0]=4 333 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,0,0,0,2,0|2,0,0]=4 334 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,0,0,0,2,0|2,0,0]=4 335 B5R0.5 C[C@H](N)C(=O)O A39925 [0,0,0,0,2,0|2,0,0]=4 336 B5R0.5 C[C@H](N)C(=O)O A60902 [0,0,0,0,2,0|2,0,0]=4 337 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,0,0,0,0,2|1,0,1]=4